4-hydroxy-3',5'-dioxa-11'-azaspiro[cyclohexane-1,14'-tetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadecane]-1',6',8',10',12'(15')-pentaen-13'-one
AlkaPlorer ID: AK091005
Synonym: None
IUPAC Name: 4'-hydroxyspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7,9,11-pentaene-14,1'-cyclohexane]-13-one
Structure
SMILES: O=C1C2=C3C(=CC=N2)C=C2OCOC2=C3[C@]12CC[C@H](O)CC2
InChI: InChI=1S/C17H15NO4/c19-10-1-4-17(5-2-10)13-12-9(3-6-18-14(12)16(17)20)7-11-15(13)22-8-21-11/h3,6-7,10,19H,1-2,4-5,8H2/t10-,17+
InChIKey: VPSQJRQFPBPUPX-RKQQLJTISA-N
Reference
Grandine A, a New Proaporphine Alkaloid from the Bark of Phoebe grandis
LOTUS: LTS0082993
SuperNatural Ⅲ: SN0396794-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phoebe grandis | Phoebe | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 297.31
TPSA？: 68.65
MolLogP？: 2.3325000000000005
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|